SCHEMBL19676399

SCHEMBL19676399

CCCN(CC(=O)N1CCCCC1)Cc1cc(CO)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.48
▸ HTT P42858 2/20 0.45
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ECE2 P0DPD6 1/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ NPC1 O15118 5/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ HPGD P15428 4/20 0.37
▸ TSHR P16473 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16291490 0.86 HRH3 (0.45) HRH3KDM4E
SCHEMBL16291875 0.80 KDM5C (0.43) HRH3SMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL15637391 0.76 KDM4C (0.44) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL19676391 0.76 KDM5C (0.41) HRH3HPGDALDH1A1KDM4E
SCHEMBL19741729 0.73 KDM4C (0.41) HDAC1HDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL15636756 0.73 PIK3CA (0.45) RAB9ANPC1SMN1; SMN2HPGDGAA
SCHEMBL16291657 0.72 DPP7 (0.42) NPC1
SCHEMBL16922675 0.72 KMT2A (0.42) HTTHDAC1HDAC6RAB9ANPC1
SCHEMBL15637002 0.72 KDM4C (0.41) RAB9ANPC1SMN1; SMN2HPGDMEN1
SCHEMBL17144208 0.71 SMN1; SMN2 (0.41) HTTRAB9ANPC1SMN1; SMN2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3023415-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2017-12-06 — — EP disclosed
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